[2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate

C24H20Cl2N2O5 — CID 17259148

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate
SMILESO=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20Cl2N2O5/c25-16-4-8-20(9-5-16)33-21-10-6-18(7-11-21)27-22(29)12-13-24(31)32-15-23(30)28-19-3-1-2-17(26)14-19/h1-11,14H,12-13,15H2,(H,27,29)(H,28,30)
InChIKeyGSTHBEIDQPTMJX-UHFFFAOYSA-N
MW487.34 g/mol
LogP5.69
Rot. Bonds9

About [2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate

[2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate (PubChem CID 17259148) has the molecular formula C24H20Cl2N2O5 and a molecular weight of 487.34 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate
PubChem CID17259148
Molecular FormulaC24H20Cl2N2O5
Molecular Weight487.34 g/mol
Exact Mass486.07
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate
SMILESO=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20Cl2N2O5/c25-16-4-8-20(9-5-16)33-21-10-6-18(7-11-21)27-22(29)12-13-24(31)32-15-23(30)28-19-3-1-2-17(26)14-19/h1-11,14H,12-13,15H2,(H,27,29)(H,28,30)
InChIKeyGSTHBEIDQPTMJX-UHFFFAOYSA-N
XLogP5.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.34
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate with MolForge

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate
CID 17257762
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate
CID 17257741
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-[4-(4-tert-butylphenoxy)anilino]-4-oxobutanoate
CID 17258860
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate
CID 17257666
butyl 4-(3-chloroanilino)-4-oxobutanoate
CID 11087295
3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide
CID 109038068
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274004
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
[2-(4-bromo-3-chloroanilino)-2-oxoethyl] 4-[4-(3,4-dimethylphenoxy)anilino]-4-oxobutanoate
CID 17258014
[2-(3-chloroanilino)-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate
CID 9062894
[2-(3-chloroanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7167454
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate (CID 17259148) is [2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate is O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate?
The InChIKey is GSTHBEIDQPTMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O5/c25-16-4-8-20(9-5-16)33-21-10-6-18(7-11-21)27-22(29)12-13-24(31)32-15-23(30)28-19-3-1-2-17(26)14-19/h1-11,14H,12-13,15H2,(H,27,29)(H,28,30).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate?
[2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate has a molecular weight of 487.34 g/mol, XLogP of 5.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate is sourced from PubChem (CID 17259148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).